[4-(piperidin-1-ium-1-ylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(piperidin-1-ium-1-ylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(piperidin-1-ium-1-ylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-(1-piperidin-1-iumylmethyl)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-(piperidin-1-ium-1-ylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(piperidin-1-ium-1-ylmethyl)phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N5O/c27-20(25-13-15-26(16-14-25)21-22-9-4-10-23-21)19-7-5-18(6-8-19)17-24-11-2-1-3-12-24/h4-10H,1-3,11-17H2/p+1